USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 27:sc= 0.0568 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.35! C(o=-3.3!,f=-9.5!) USER MOD Single : A 44 TYR OH : rot 180:sc=0.000641 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.086) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.09 F(o=-2.5,f=-1.1) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00985 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -2.842 -6.488 1.436 1.00 0.00 N ATOM 272 CA THR A 20 -3.906 -5.626 0.938 1.00 0.00 C ATOM 273 C THR A 20 -3.744 -5.356 -0.553 1.00 0.00 C ATOM 274 O THR A 20 -2.759 -4.754 -0.982 1.00 0.00 O ATOM 275 CB THR A 20 -3.938 -4.282 1.691 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.141 -4.508 3.090 1.00 0.00 O ATOM 277 CG2 THR A 20 -5.042 -3.385 1.152 1.00 0.00 C ATOM 0 HA THR A 20 -4.845 -6.153 1.108 1.00 0.00 H new ATOM 0 HB THR A 20 -2.980 -3.784 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.797 -5.393 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.045 -2.442 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.868 -3.190 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.006 -3.879 1.276 1.00 0.00 H new ATOM 285 N VAL A 21 -4.716 -5.805 -1.340 1.00 0.00 N ATOM 286 CA VAL A 21 -4.682 -5.611 -2.785 1.00 0.00 C ATOM 287 C VAL A 21 -5.592 -4.463 -3.207 1.00 0.00 C ATOM 288 O VAL A 21 -6.725 -4.351 -2.739 1.00 0.00 O ATOM 289 CB VAL A 21 -5.104 -6.889 -3.534 1.00 0.00 C ATOM 290 CG1 VAL A 21 -5.195 -6.626 -5.029 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.134 -8.023 -3.241 1.00 0.00 C ATOM 0 H VAL A 21 -5.537 -6.306 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.652 -5.369 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.091 -7.187 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.494 -7.540 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.933 -5.846 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.223 -6.303 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.448 -8.918 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.133 -7.738 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.125 -8.227 -2.170 1.00 0.00 H new ATOM 301 N VAL A 22 -5.089 -3.611 -4.095 1.00 0.00 N ATOM 302 CA VAL A 22 -5.857 -2.472 -4.582 1.00 0.00 C ATOM 303 C VAL A 22 -5.850 -2.416 -6.106 1.00 0.00 C ATOM 304 O VAL A 22 -4.924 -2.910 -6.751 1.00 0.00 O ATOM 305 CB VAL A 22 -5.306 -1.145 -4.028 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.828 -0.896 -2.621 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.784 -1.151 -4.047 1.00 0.00 C ATOM 0 H VAL A 22 -4.152 -3.689 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.880 -2.607 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.652 -0.333 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.428 0.046 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.917 -0.846 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.514 -1.709 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.411 -0.206 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.416 -1.972 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.433 -1.280 -5.071 1.00 0.00 H new ATOM 317 N ILE A 23 -6.887 -1.810 -6.675 1.00 0.00 N ATOM 318 CA ILE A 23 -6.999 -1.688 -8.123 1.00 0.00 C ATOM 319 C ILE A 23 -7.129 -0.227 -8.542 1.00 0.00 C ATOM 320 O ILE A 23 -7.755 0.575 -7.850 1.00 0.00 O ATOM 321 CB ILE A 23 -8.207 -2.475 -8.662 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.182 -3.913 -8.140 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.214 -2.458 -10.184 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.543 -4.573 -8.119 1.00 0.00 C ATOM 0 H ILE A 23 -7.661 -1.396 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.086 -2.106 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.120 -1.996 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.510 -4.505 -8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.770 -3.917 -7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.074 -3.019 -10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.275 -1.428 -10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.297 -2.915 -10.557 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.448 -5.590 -7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.213 -4.004 -7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.949 -4.601 -9.130 1.00 0.00 H new ATOM 336 N ALA A 24 -6.535 0.110 -9.682 1.00 0.00 N ATOM 337 CA ALA A 24 -6.587 1.473 -10.197 1.00 0.00 C ATOM 338 C ALA A 24 -7.842 1.696 -11.033 1.00 0.00 C ATOM 339 O ALA A 24 -8.174 0.887 -11.902 1.00 0.00 O ATOM 340 CB ALA A 24 -5.343 1.776 -11.018 1.00 0.00 C ATOM 0 H ALA A 24 -6.012 -0.542 -10.267 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.622 2.155 -9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.396 2.797 -11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.458 1.667 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.282 1.082 -11.856 1.00 0.00 H new ATOM 346 N LEU A 25 -8.538 2.796 -10.767 1.00 0.00 N ATOM 347 CA LEU A 25 -9.758 3.125 -11.495 1.00 0.00 C ATOM 348 C LEU A 25 -9.433 3.737 -12.854 1.00 0.00 C ATOM 349 O LEU A 25 -10.171 3.551 -13.822 1.00 0.00 O ATOM 350 CB LEU A 25 -10.617 4.093 -10.680 1.00 0.00 C ATOM 351 CG LEU A 25 -11.076 3.592 -9.310 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.385 4.763 -8.390 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.292 2.688 -9.453 1.00 0.00 C ATOM 0 H LEU A 25 -8.278 3.475 -10.052 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.315 2.202 -11.656 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.054 5.015 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.500 4.346 -11.267 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.267 3.012 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.710 4.387 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.490 5.371 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.177 5.371 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.605 2.341 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.106 3.244 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.037 1.831 -10.076 1.00 0.00 H new ATOM 365 N TYR A 26 -8.323 4.464 -12.919 1.00 0.00 N ATOM 366 CA TYR A 26 -7.900 5.103 -14.160 1.00 0.00 C ATOM 367 C TYR A 26 -6.419 4.853 -14.423 1.00 0.00 C ATOM 368 O TYR A 26 -5.650 4.579 -13.502 1.00 0.00 O ATOM 369 CB TYR A 26 -8.173 6.607 -14.102 1.00 0.00 C ATOM 370 CG TYR A 26 -9.388 6.971 -13.280 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.287 7.185 -11.911 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.638 7.102 -13.873 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.396 7.516 -11.156 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.752 7.435 -13.126 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.625 7.641 -11.768 1.00 0.00 C ATOM 376 OH TYR A 26 -12.732 7.972 -11.020 1.00 0.00 O ATOM 0 H TYR A 26 -7.700 4.626 -12.128 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.474 4.668 -14.978 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.300 7.110 -13.687 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.305 6.983 -15.116 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.325 7.091 -11.429 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.741 6.941 -14.936 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.300 7.676 -10.092 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.716 7.533 -13.603 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.518 8.021 -11.603 1.00 0.00 H new ATOM 386 N ASP A 27 -6.025 4.951 -15.688 1.00 0.00 N ATOM 387 CA ASP A 27 -4.635 4.737 -16.076 1.00 0.00 C ATOM 388 C ASP A 27 -3.781 5.952 -15.726 1.00 0.00 C ATOM 389 O ASP A 27 -3.708 6.913 -16.491 1.00 0.00 O ATOM 390 CB ASP A 27 -4.540 4.445 -17.574 1.00 0.00 C ATOM 391 CG ASP A 27 -3.110 4.241 -18.034 1.00 0.00 C ATOM 392 OD1 ASP A 27 -2.381 5.246 -18.168 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.720 3.076 -18.261 1.00 0.00 O ATOM 0 H ASP A 27 -6.649 5.177 -16.463 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.257 3.878 -15.523 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.124 3.554 -17.805 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.984 5.270 -18.131 1.00 0.00 H new ATOM 398 N TYR A 28 -3.138 5.901 -14.565 1.00 0.00 N ATOM 399 CA TYR A 28 -2.291 6.999 -14.112 1.00 0.00 C ATOM 400 C TYR A 28 -0.917 6.934 -14.770 1.00 0.00 C ATOM 401 O TYR A 28 -0.382 5.852 -15.009 1.00 0.00 O ATOM 402 CB TYR A 28 -2.143 6.961 -12.590 1.00 0.00 C ATOM 403 CG TYR A 28 -1.269 8.065 -12.039 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.722 9.378 -11.991 1.00 0.00 C ATOM 405 CD2 TYR A 28 0.010 7.796 -11.566 1.00 0.00 C ATOM 406 CE1 TYR A 28 -0.927 10.390 -11.489 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.811 8.802 -11.062 1.00 0.00 C ATOM 408 CZ TYR A 28 0.339 10.097 -11.026 1.00 0.00 C ATOM 409 OH TYR A 28 1.134 11.102 -10.524 1.00 0.00 O ATOM 0 H TYR A 28 -3.187 5.112 -13.920 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.768 7.936 -14.401 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.131 7.030 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.725 5.998 -12.298 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.713 9.611 -12.352 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.384 6.783 -11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.295 11.405 -11.459 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.802 8.575 -10.698 1.00 0.00 H new ATOM 0 HH TYR A 28 1.994 10.728 -10.239 1.00 0.00 H new ATOM 507 N GLU A 35 7.265 9.070 -8.016 1.00 0.00 N ATOM 508 CA GLU A 35 5.894 8.689 -8.335 1.00 0.00 C ATOM 509 C GLU A 35 5.868 7.487 -9.274 1.00 0.00 C ATOM 510 O GLU A 35 6.793 7.278 -10.061 1.00 0.00 O ATOM 511 CB GLU A 35 5.151 9.865 -8.974 1.00 0.00 C ATOM 512 CG GLU A 35 4.843 10.991 -8.002 1.00 0.00 C ATOM 513 CD GLU A 35 4.179 12.177 -8.673 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.783 12.745 -9.607 1.00 0.00 O ATOM 515 OE2 GLU A 35 3.054 12.536 -8.266 1.00 0.00 O ATOM 0 HA GLU A 35 5.395 8.413 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.750 10.259 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.218 9.503 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.194 10.616 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.768 11.318 -7.527 1.00 0.00 H new ATOM 522 N LEU A 36 4.803 6.697 -9.185 1.00 0.00 N ATOM 523 CA LEU A 36 4.656 5.514 -10.026 1.00 0.00 C ATOM 524 C LEU A 36 3.421 5.628 -10.913 1.00 0.00 C ATOM 525 O LEU A 36 2.433 6.261 -10.542 1.00 0.00 O ATOM 526 CB LEU A 36 4.561 4.257 -9.159 1.00 0.00 C ATOM 527 CG LEU A 36 4.111 2.982 -9.873 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.281 2.337 -10.600 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.493 2.006 -8.882 1.00 0.00 C ATOM 0 H LEU A 36 4.029 6.854 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 36 5.535 5.441 -10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.538 4.074 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.868 4.455 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 36 3.354 3.249 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.942 1.431 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.680 3.034 -11.338 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.061 2.084 -9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.178 1.104 -9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.229 1.745 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.628 2.469 -8.406 1.00 0.00 H new ATOM 541 N ALA A 37 3.483 5.008 -12.087 1.00 0.00 N ATOM 542 CA ALA A 37 2.369 5.036 -13.026 1.00 0.00 C ATOM 543 C ALA A 37 1.492 3.797 -12.875 1.00 0.00 C ATOM 544 O ALA A 37 1.986 2.669 -12.889 1.00 0.00 O ATOM 545 CB ALA A 37 2.884 5.149 -14.454 1.00 0.00 C ATOM 0 H ALA A 37 4.294 4.480 -12.410 1.00 0.00 H new ATOM 0 HA ALA A 37 1.759 5.911 -12.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.041 5.169 -15.144 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.462 6.067 -14.561 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.519 4.292 -14.681 1.00 0.00 H new ATOM 551 N LEU A 38 0.190 4.014 -12.730 1.00 0.00 N ATOM 552 CA LEU A 38 -0.756 2.915 -12.575 1.00 0.00 C ATOM 553 C LEU A 38 -1.389 2.548 -13.913 1.00 0.00 C ATOM 554 O LEU A 38 -1.273 3.289 -14.890 1.00 0.00 O ATOM 555 CB LEU A 38 -1.846 3.291 -11.569 1.00 0.00 C ATOM 556 CG LEU A 38 -1.368 3.624 -10.155 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.467 4.323 -9.371 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.916 2.362 -9.434 1.00 0.00 C ATOM 0 H LEU A 38 -0.235 4.941 -12.717 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.209 2.049 -12.202 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.391 4.151 -11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.555 2.466 -11.506 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.517 4.301 -10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.109 4.552 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.743 5.248 -9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.338 3.671 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.579 2.618 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.749 1.661 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.096 1.902 -9.985 1.00 0.00 H new ATOM 570 N ARG A 39 -2.060 1.401 -13.951 1.00 0.00 N ATOM 571 CA ARG A 39 -2.712 0.937 -15.169 1.00 0.00 C ATOM 572 C ARG A 39 -4.204 0.715 -14.937 1.00 0.00 C ATOM 573 O ARG A 39 -4.629 0.400 -13.826 1.00 0.00 O ATOM 574 CB ARG A 39 -2.063 -0.360 -15.658 1.00 0.00 C ATOM 575 CG ARG A 39 -2.357 -0.677 -17.115 1.00 0.00 C ATOM 576 CD ARG A 39 -1.242 -1.497 -17.743 1.00 0.00 C ATOM 577 NE ARG A 39 -1.462 -2.932 -17.588 1.00 0.00 N ATOM 578 CZ ARG A 39 -0.493 -3.837 -17.665 1.00 0.00 C ATOM 579 NH1 ARG A 39 0.756 -3.458 -17.894 1.00 0.00 N ATOM 580 NH2 ARG A 39 -0.773 -5.125 -17.512 1.00 0.00 N ATOM 0 H ARG A 39 -2.166 0.776 -13.152 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.591 1.707 -15.931 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.984 -0.290 -15.521 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.411 -1.186 -15.038 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.297 -1.224 -17.187 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.485 0.251 -17.672 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.167 -1.255 -18.803 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.291 -1.225 -17.286 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.412 -3.257 -17.411 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.975 -2.469 -18.012 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.498 -4.155 -17.953 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.733 -5.421 -17.335 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.028 -5.819 -17.571 1.00 0.00 H new ATOM 594 N ARG A 40 -4.993 0.884 -15.993 1.00 0.00 N ATOM 595 CA ARG A 40 -6.437 0.704 -15.904 1.00 0.00 C ATOM 596 C ARG A 40 -6.794 -0.773 -15.764 1.00 0.00 C ATOM 597 O ARG A 40 -6.396 -1.598 -16.585 1.00 0.00 O ATOM 598 CB ARG A 40 -7.122 1.291 -17.139 1.00 0.00 C ATOM 599 CG ARG A 40 -8.629 1.093 -17.151 1.00 0.00 C ATOM 600 CD ARG A 40 -9.320 2.123 -18.031 1.00 0.00 C ATOM 601 NE ARG A 40 -9.400 1.688 -19.423 1.00 0.00 N ATOM 602 CZ ARG A 40 -10.000 2.390 -20.379 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.567 3.553 -20.094 1.00 0.00 N ATOM 604 NH2 ARG A 40 -10.031 1.927 -21.622 1.00 0.00 N ATOM 0 H ARG A 40 -4.657 1.145 -16.920 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.789 1.230 -15.017 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.904 2.358 -17.193 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.697 0.833 -18.032 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.862 0.091 -17.510 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.014 1.165 -16.134 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.325 2.309 -17.651 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.779 3.068 -17.977 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.972 0.797 -19.675 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.544 3.911 -19.139 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.027 4.090 -20.829 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.594 1.032 -21.844 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.491 2.466 -22.356 1.00 0.00 H new ATOM 618 N ASN A 41 -7.545 -1.098 -14.717 1.00 0.00 N ATOM 619 CA ASN A 41 -7.954 -2.476 -14.468 1.00 0.00 C ATOM 620 C ASN A 41 -6.751 -3.345 -14.117 1.00 0.00 C ATOM 621 O ASN A 41 -6.595 -4.447 -14.642 1.00 0.00 O ATOM 622 CB ASN A 41 -8.670 -3.046 -15.695 1.00 0.00 C ATOM 623 CG ASN A 41 -9.731 -2.107 -16.234 1.00 0.00 C ATOM 624 OD1 ASN A 41 -9.851 -0.966 -15.787 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.506 -2.583 -17.201 1.00 0.00 N ATOM 0 H ASN A 41 -7.883 -0.427 -14.027 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.640 -2.479 -13.621 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.938 -3.250 -16.477 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.131 -3.998 -15.433 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.237 -1.997 -17.604 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.371 -3.535 -17.541 1.00 0.00 H new ATOM 632 N GLU A 42 -5.905 -2.842 -13.224 1.00 0.00 N ATOM 633 CA GLU A 42 -4.716 -3.574 -12.803 1.00 0.00 C ATOM 634 C GLU A 42 -4.592 -3.581 -11.282 1.00 0.00 C ATOM 635 O GLU A 42 -4.740 -2.546 -10.632 1.00 0.00 O ATOM 636 CB GLU A 42 -3.462 -2.956 -13.425 1.00 0.00 C ATOM 637 CG GLU A 42 -3.156 -3.474 -14.820 1.00 0.00 C ATOM 638 CD GLU A 42 -3.301 -4.980 -14.928 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.624 -5.696 -14.160 1.00 0.00 O ATOM 640 OE2 GLU A 42 -4.089 -5.442 -15.778 1.00 0.00 O ATOM 0 H GLU A 42 -6.020 -1.932 -12.778 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.814 -4.604 -13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.583 -1.874 -13.467 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.609 -3.156 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.825 -2.996 -15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.140 -3.190 -15.094 1.00 0.00 H new ATOM 647 N GLU A 43 -4.318 -4.755 -10.721 1.00 0.00 N ATOM 648 CA GLU A 43 -4.176 -4.896 -9.277 1.00 0.00 C ATOM 649 C GLU A 43 -2.769 -4.508 -8.828 1.00 0.00 C ATOM 650 O GLU A 43 -1.817 -4.576 -9.606 1.00 0.00 O ATOM 651 CB GLU A 43 -4.481 -6.334 -8.850 1.00 0.00 C ATOM 652 CG GLU A 43 -5.966 -6.651 -8.798 1.00 0.00 C ATOM 653 CD GLU A 43 -6.240 -8.132 -8.623 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.695 -8.729 -7.672 1.00 0.00 O ATOM 655 OE2 GLU A 43 -7.001 -8.694 -9.439 1.00 0.00 O ATOM 0 H GLU A 43 -4.190 -5.621 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.889 -4.224 -8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.995 -7.021 -9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.045 -6.512 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.423 -6.101 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.440 -6.303 -9.716 1.00 0.00 H new ATOM 662 N TYR A 44 -2.647 -4.102 -7.570 1.00 0.00 N ATOM 663 CA TYR A 44 -1.359 -3.701 -7.018 1.00 0.00 C ATOM 664 C TYR A 44 -1.284 -4.013 -5.526 1.00 0.00 C ATOM 665 O TYR A 44 -2.279 -3.910 -4.808 1.00 0.00 O ATOM 666 CB TYR A 44 -1.124 -2.207 -7.250 1.00 0.00 C ATOM 667 CG TYR A 44 -0.950 -1.841 -8.707 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.047 -1.744 -9.554 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.310 -1.592 -9.236 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.894 -1.411 -10.886 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.473 -1.256 -10.565 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.632 -1.167 -11.387 1.00 0.00 C ATOM 673 OH TYR A 44 -0.474 -0.834 -12.712 1.00 0.00 O ATOM 0 H TYR A 44 -3.425 -4.042 -6.913 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.581 -4.269 -7.529 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.966 -1.648 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.237 -1.897 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.037 -1.932 -9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.177 -1.663 -8.596 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.757 -1.342 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.460 -1.064 -10.959 1.00 0.00 H new ATOM 0 HH TYR A 44 0.477 -0.694 -12.903 1.00 0.00 H new ATOM 683 N CYS A 45 -0.097 -4.394 -5.068 1.00 0.00 N ATOM 684 CA CYS A 45 0.110 -4.722 -3.661 1.00 0.00 C ATOM 685 C CYS A 45 0.517 -3.484 -2.869 1.00 0.00 C ATOM 686 O CYS A 45 1.494 -2.813 -3.204 1.00 0.00 O ATOM 687 CB CYS A 45 1.179 -5.807 -3.521 1.00 0.00 C ATOM 688 SG CYS A 45 1.386 -6.425 -1.834 1.00 0.00 S ATOM 0 H CYS A 45 0.736 -4.484 -5.649 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.831 -5.096 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.922 -6.642 -4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.132 -5.410 -3.871 1.00 0.00 H new ATOM 0 HG CYS A 45 2.309 -7.340 -1.817 1.00 0.00 H new ATOM 694 N LEU A 46 -0.237 -3.187 -1.817 1.00 0.00 N ATOM 695 CA LEU A 46 0.044 -2.028 -0.976 1.00 0.00 C ATOM 696 C LEU A 46 1.238 -2.294 -0.065 1.00 0.00 C ATOM 697 O LEU A 46 1.206 -3.199 0.770 1.00 0.00 O ATOM 698 CB LEU A 46 -1.184 -1.672 -0.137 1.00 0.00 C ATOM 699 CG LEU A 46 -0.949 -0.698 1.018 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.533 0.666 0.489 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.197 -0.580 1.880 1.00 0.00 C ATOM 0 H LEU A 46 -1.048 -3.733 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 46 0.287 -1.188 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.939 -1.246 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.600 -2.593 0.270 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.141 -1.087 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.370 1.346 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.389 0.568 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.319 1.062 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.011 0.117 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.025 -0.215 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.451 -1.558 2.289 1.00 0.00 H new ATOM 713 N LEU A 47 2.289 -1.498 -0.229 1.00 0.00 N ATOM 714 CA LEU A 47 3.493 -1.645 0.581 1.00 0.00 C ATOM 715 C LEU A 47 3.337 -0.937 1.923 1.00 0.00 C ATOM 716 O LEU A 47 3.491 -1.548 2.981 1.00 0.00 O ATOM 717 CB LEU A 47 4.705 -1.086 -0.166 1.00 0.00 C ATOM 718 CG LEU A 47 5.020 -1.734 -1.515 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.027 -0.896 -2.287 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.541 -3.150 -1.318 1.00 0.00 C ATOM 0 H LEU A 47 2.332 -0.745 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 47 3.648 -2.708 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.548 -0.019 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.580 -1.186 0.476 1.00 0.00 H new ATOM 0 HG LEU A 47 4.099 -1.785 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.239 -1.372 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.616 0.099 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.949 -0.813 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.760 -3.595 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.450 -3.123 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.786 -3.747 -0.806 1.00 0.00 H new ATOM 732 N ASP A 48 3.029 0.354 1.872 1.00 0.00 N ATOM 733 CA ASP A 48 2.848 1.146 3.083 1.00 0.00 C ATOM 734 C ASP A 48 1.768 2.204 2.885 1.00 0.00 C ATOM 735 O ASP A 48 1.643 2.783 1.806 1.00 0.00 O ATOM 736 CB ASP A 48 4.165 1.812 3.484 1.00 0.00 C ATOM 737 CG ASP A 48 4.223 2.139 4.963 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.813 1.284 5.776 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.676 3.251 5.308 1.00 0.00 O ATOM 0 H ASP A 48 2.899 0.875 1.005 1.00 0.00 H new ATOM 0 HA ASP A 48 2.531 0.475 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.995 1.153 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.296 2.728 2.907 1.00 0.00 H new ATOM 744 N SER A 49 0.989 2.451 3.933 1.00 0.00 N ATOM 745 CA SER A 49 -0.084 3.437 3.873 1.00 0.00 C ATOM 746 C SER A 49 0.194 4.602 4.818 1.00 0.00 C ATOM 747 O SER A 49 -0.722 5.151 5.430 1.00 0.00 O ATOM 748 CB SER A 49 -1.423 2.786 4.227 1.00 0.00 C ATOM 749 OG SER A 49 -1.427 2.325 5.567 1.00 0.00 O ATOM 0 H SER A 49 1.081 1.982 4.834 1.00 0.00 H new ATOM 0 HA SER A 49 -0.133 3.823 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.230 3.505 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.616 1.952 3.552 1.00 0.00 H new ATOM 0 HG SER A 49 -2.294 1.915 5.769 1.00 0.00 H new ATOM 755 N SER A 50 1.465 4.973 4.931 1.00 0.00 N ATOM 756 CA SER A 50 1.866 6.070 5.804 1.00 0.00 C ATOM 757 C SER A 50 0.979 7.292 5.582 1.00 0.00 C ATOM 758 O SER A 50 0.378 7.814 6.521 1.00 0.00 O ATOM 759 CB SER A 50 3.331 6.437 5.557 1.00 0.00 C ATOM 760 OG SER A 50 3.812 7.317 6.558 1.00 0.00 O ATOM 0 H SER A 50 2.235 4.530 4.429 1.00 0.00 H new ATOM 0 HA SER A 50 1.751 5.741 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.938 5.532 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.432 6.905 4.578 1.00 0.00 H new ATOM 0 HG SER A 50 4.750 7.535 6.379 1.00 0.00 H new ATOM 766 N GLU A 51 0.904 7.743 4.334 1.00 0.00 N ATOM 767 CA GLU A 51 0.092 8.904 3.989 1.00 0.00 C ATOM 768 C GLU A 51 -1.337 8.488 3.654 1.00 0.00 C ATOM 769 O GLU A 51 -1.640 7.299 3.547 1.00 0.00 O ATOM 770 CB GLU A 51 0.709 9.652 2.805 1.00 0.00 C ATOM 771 CG GLU A 51 1.703 10.726 3.214 1.00 0.00 C ATOM 772 CD GLU A 51 1.068 11.822 4.048 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.131 12.480 3.549 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.508 12.021 5.200 1.00 0.00 O ATOM 0 H GLU A 51 1.395 7.322 3.545 1.00 0.00 H new ATOM 0 HA GLU A 51 0.065 9.567 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.209 8.935 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.089 10.111 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.514 10.268 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.146 11.165 2.320 1.00 0.00 H new ATOM 781 N ILE A 52 -2.211 9.476 3.491 1.00 0.00 N ATOM 782 CA ILE A 52 -3.608 9.213 3.167 1.00 0.00 C ATOM 783 C ILE A 52 -3.878 9.428 1.682 1.00 0.00 C ATOM 784 O ILE A 52 -4.370 8.534 0.994 1.00 0.00 O ATOM 785 CB ILE A 52 -4.554 10.111 3.986 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.311 9.915 5.483 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.004 9.812 3.635 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.720 11.104 6.323 1.00 0.00 C ATOM 0 H ILE A 52 -1.977 10.465 3.578 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.800 8.171 3.421 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.348 11.152 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.861 9.036 5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.253 9.711 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.660 10.455 4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.167 9.999 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.224 8.768 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.519 10.894 7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.152 11.981 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.785 11.295 6.189 1.00 0.00 H new ATOM 800 N HIS A 53 -3.552 10.621 1.194 1.00 0.00 N ATOM 801 CA HIS A 53 -3.757 10.953 -0.212 1.00 0.00 C ATOM 802 C HIS A 53 -2.778 10.192 -1.099 1.00 0.00 C ATOM 803 O HIS A 53 -3.101 9.834 -2.232 1.00 0.00 O ATOM 804 CB HIS A 53 -3.597 12.458 -0.430 1.00 0.00 C ATOM 805 CG HIS A 53 -4.243 13.290 0.635 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.590 13.586 0.645 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.720 13.888 1.731 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.867 14.332 1.700 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.749 14.529 2.376 1.00 0.00 N ATOM 0 H HIS A 53 -3.145 11.373 1.750 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.770 10.659 -0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.535 12.699 -0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.025 12.724 -1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.686 13.865 2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.841 14.715 1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.664 15.069 3.237 1.00 0.00 H new ATOM 818 N TRP A 54 -1.581 9.949 -0.577 1.00 0.00 N ATOM 819 CA TRP A 54 -0.554 9.230 -1.323 1.00 0.00 C ATOM 820 C TRP A 54 -0.252 7.883 -0.675 1.00 0.00 C ATOM 821 O TRP A 54 0.061 7.812 0.513 1.00 0.00 O ATOM 822 CB TRP A 54 0.724 10.067 -1.407 1.00 0.00 C ATOM 823 CG TRP A 54 0.504 11.431 -1.987 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.574 12.624 -1.325 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.175 11.742 -3.345 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.309 13.658 -2.191 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.062 13.143 -3.436 1.00 0.00 C ATOM 828 CE3 TRP A 54 -0.033 10.974 -4.494 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.250 13.789 -4.630 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.343 11.616 -5.677 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.449 13.012 -5.739 1.00 0.00 C ATOM 0 H TRP A 54 -1.298 10.239 0.359 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.930 9.051 -2.330 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.149 10.169 -0.409 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.458 9.536 -2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.804 12.738 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.298 14.648 -1.946 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.047 9.898 -4.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.332 14.865 -4.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.507 11.032 -6.570 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.692 13.484 -6.680 1.00 0.00 H new ATOM 842 N TRP A 55 -0.349 6.818 -1.463 1.00 0.00 N ATOM 843 CA TRP A 55 -0.086 5.473 -0.965 1.00 0.00 C ATOM 844 C TRP A 55 1.066 4.826 -1.726 1.00 0.00 C ATOM 845 O TRP A 55 1.213 5.022 -2.932 1.00 0.00 O ATOM 846 CB TRP A 55 -1.342 4.608 -1.085 1.00 0.00 C ATOM 847 CG TRP A 55 -2.276 4.753 0.079 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.098 5.540 1.180 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.533 4.090 0.256 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.168 5.407 2.032 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.062 4.523 1.487 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.263 3.174 -0.506 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.286 4.071 1.972 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.478 2.725 -0.023 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.980 3.174 1.205 1.00 0.00 C ATOM 0 H TRP A 55 -0.608 6.860 -2.449 1.00 0.00 H new ATOM 0 HA TRP A 55 0.195 5.550 0.085 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.870 4.872 -2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.047 3.563 -1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.242 6.174 1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.279 5.888 2.925 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.885 2.823 -1.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.674 4.415 2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.050 2.016 -0.603 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.933 2.805 1.554 1.00 0.00 H new ATOM 866 N ARG A 56 1.880 4.054 -1.013 1.00 0.00 N ATOM 867 CA ARG A 56 3.020 3.380 -1.622 1.00 0.00 C ATOM 868 C ARG A 56 2.673 1.936 -1.975 1.00 0.00 C ATOM 869 O ARG A 56 2.574 1.078 -1.097 1.00 0.00 O ATOM 870 CB ARG A 56 4.223 3.410 -0.677 1.00 0.00 C ATOM 871 CG ARG A 56 5.561 3.325 -1.391 1.00 0.00 C ATOM 872 CD ARG A 56 6.722 3.417 -0.413 1.00 0.00 C ATOM 873 NE ARG A 56 8.001 3.115 -1.050 1.00 0.00 N ATOM 874 CZ ARG A 56 9.104 2.813 -0.376 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.086 2.772 0.949 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.230 2.549 -1.027 1.00 0.00 N ATOM 0 H ARG A 56 1.771 3.880 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 56 3.275 3.910 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.191 4.329 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.143 2.581 0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.622 2.386 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.636 4.129 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.758 4.419 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.556 2.725 0.412 1.00 0.00 H new ATOM 0 HE ARG A 56 8.049 3.137 -2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.223 2.973 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.935 2.540 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.249 2.578 -2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.077 2.317 -0.508 1.00 0.00 H new ATOM 890 N VAL A 57 2.488 1.676 -3.265 1.00 0.00 N ATOM 891 CA VAL A 57 2.152 0.337 -3.734 1.00 0.00 C ATOM 892 C VAL A 57 3.208 -0.189 -4.700 1.00 0.00 C ATOM 893 O VAL A 57 4.059 0.564 -5.173 1.00 0.00 O ATOM 894 CB VAL A 57 0.778 0.314 -4.431 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.285 0.931 -3.536 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.847 1.038 -5.767 1.00 0.00 C ATOM 0 H VAL A 57 2.565 2.375 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 57 2.116 -0.306 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 57 0.503 -0.724 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.249 0.906 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.351 0.366 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.019 1.964 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.132 1.012 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.144 2.074 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.578 0.547 -6.409 1.00 0.00 H new ATOM 906 N GLN A 58 3.146 -1.485 -4.988 1.00 0.00 N ATOM 907 CA GLN A 58 4.099 -2.110 -5.898 1.00 0.00 C ATOM 908 C GLN A 58 3.377 -2.803 -7.049 1.00 0.00 C ATOM 909 O GLN A 58 2.326 -3.415 -6.857 1.00 0.00 O ATOM 910 CB GLN A 58 4.968 -3.119 -5.145 1.00 0.00 C ATOM 911 CG GLN A 58 6.194 -3.567 -5.925 1.00 0.00 C ATOM 912 CD GLN A 58 7.251 -4.196 -5.039 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.051 -5.278 -4.486 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.386 -3.520 -4.900 1.00 0.00 N ATOM 0 H GLN A 58 2.447 -2.122 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 58 4.737 -1.328 -6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.289 -2.677 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.365 -3.993 -4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.892 -4.284 -6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.623 -2.710 -6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.509 -2.627 -5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.134 -3.894 -4.317 1.00 0.00 H new ATOM 923 N ASP A 59 3.948 -2.702 -8.244 1.00 0.00 N ATOM 924 CA ASP A 59 3.359 -3.319 -9.427 1.00 0.00 C ATOM 925 C ASP A 59 3.754 -4.790 -9.526 1.00 0.00 C ATOM 926 O ASP A 59 4.692 -5.237 -8.866 1.00 0.00 O ATOM 927 CB ASP A 59 3.798 -2.575 -10.689 1.00 0.00 C ATOM 928 CG ASP A 59 2.997 -2.984 -11.910 1.00 0.00 C ATOM 929 OD1 ASP A 59 1.844 -3.431 -11.740 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.525 -2.857 -13.035 1.00 0.00 O ATOM 0 H ASP A 59 4.818 -2.199 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 59 2.274 -3.257 -9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.691 -1.502 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.856 -2.766 -10.871 1.00 0.00 H new ATOM 935 N ARG A 60 3.031 -5.537 -10.354 1.00 0.00 N ATOM 936 CA ARG A 60 3.304 -6.957 -10.537 1.00 0.00 C ATOM 937 C ARG A 60 4.719 -7.175 -11.064 1.00 0.00 C ATOM 938 O ARG A 60 5.330 -8.214 -10.819 1.00 0.00 O ATOM 939 CB ARG A 60 2.289 -7.573 -11.502 1.00 0.00 C ATOM 940 CG ARG A 60 2.586 -9.021 -11.856 1.00 0.00 C ATOM 941 CD ARG A 60 1.328 -9.759 -12.286 1.00 0.00 C ATOM 942 NE ARG A 60 1.624 -10.859 -13.199 1.00 0.00 N ATOM 943 CZ ARG A 60 0.724 -11.404 -14.010 1.00 0.00 C ATOM 944 NH1 ARG A 60 -0.523 -10.951 -14.022 1.00 0.00 N ATOM 945 NH2 ARG A 60 1.069 -12.402 -14.813 1.00 0.00 N ATOM 0 H ARG A 60 2.252 -5.182 -10.909 1.00 0.00 H new ATOM 0 HA ARG A 60 3.216 -7.446 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.295 -7.513 -11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.265 -6.982 -12.417 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.322 -9.057 -12.659 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.028 -9.524 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.816 -10.147 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.645 -9.060 -12.770 1.00 0.00 H new ATOM 0 HE ARG A 60 2.574 -11.230 -13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.792 -10.183 -13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.212 -11.371 -14.646 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.027 -12.752 -14.809 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.376 -12.819 -15.435 1.00 0.00 H new ATOM 959 N ASN A 61 5.233 -6.187 -11.790 1.00 0.00 N ATOM 960 CA ASN A 61 6.576 -6.271 -12.352 1.00 0.00 C ATOM 961 C ASN A 61 7.632 -6.000 -11.285 1.00 0.00 C ATOM 962 O ASN A 61 8.598 -6.748 -11.148 1.00 0.00 O ATOM 963 CB ASN A 61 6.732 -5.277 -13.504 1.00 0.00 C ATOM 964 CG ASN A 61 6.224 -5.832 -14.821 1.00 0.00 C ATOM 965 OD1 ASN A 61 6.982 -6.417 -15.595 1.00 0.00 O ATOM 966 ND2 ASN A 61 4.934 -5.650 -15.080 1.00 0.00 N ATOM 0 H ASN A 61 4.740 -5.320 -12.003 1.00 0.00 H new ATOM 0 HA ASN A 61 6.721 -7.283 -12.731 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.190 -4.362 -13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.783 -5.008 -13.608 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.534 -6.001 -15.950 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.343 -5.159 -14.409 1.00 0.00 H new ATOM 973 N GLY A 62 7.438 -4.923 -10.529 1.00 0.00 N ATOM 974 CA GLY A 62 8.380 -4.571 -9.483 1.00 0.00 C ATOM 975 C GLY A 62 8.631 -3.078 -9.406 1.00 0.00 C ATOM 976 O GLY A 62 9.743 -2.643 -9.105 1.00 0.00 O ATOM 0 H GLY A 62 6.645 -4.288 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.000 -4.922 -8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.324 -5.086 -9.660 1.00 0.00 H new ATOM 980 N HIS A 63 7.595 -2.291 -9.680 1.00 0.00 N ATOM 981 CA HIS A 63 7.709 -0.837 -9.642 1.00 0.00 C ATOM 982 C HIS A 63 6.722 -0.241 -8.643 1.00 0.00 C ATOM 983 O HIS A 63 5.533 -0.557 -8.669 1.00 0.00 O ATOM 984 CB HIS A 63 7.465 -0.249 -11.031 1.00 0.00 C ATOM 985 CG HIS A 63 7.923 -1.137 -12.147 1.00 0.00 C ATOM 986 ND1 HIS A 63 8.948 -2.018 -12.214 1.00 0.00 N flip ATOM 987 CD2 HIS A 63 7.301 -1.181 -13.377 1.00 0.00 C flip ATOM 988 CE1 HIS A 63 8.928 -2.573 -13.469 1.00 0.00 C flip ATOM 989 NE2 HIS A 63 7.924 -2.051 -14.152 1.00 0.00 N flip ATOM 0 H HIS A 63 6.668 -2.635 -9.930 1.00 0.00 H new ATOM 0 HA HIS A 63 8.720 -0.584 -9.322 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.400 -0.050 -11.150 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.979 0.709 -11.106 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.439 -0.596 -13.662 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.620 -3.315 -13.838 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.673 -2.281 -15.114 1.00 0.00 H new ATOM 998 N GLU A 64 7.224 0.621 -7.765 1.00 0.00 N ATOM 999 CA GLU A 64 6.385 1.260 -6.757 1.00 0.00 C ATOM 1000 C GLU A 64 6.552 2.776 -6.791 1.00 0.00 C ATOM 1001 O GLU A 64 7.326 3.309 -7.585 1.00 0.00 O ATOM 1002 CB GLU A 64 6.729 0.728 -5.364 1.00 0.00 C ATOM 1003 CG GLU A 64 8.208 0.438 -5.172 1.00 0.00 C ATOM 1004 CD GLU A 64 9.051 1.698 -5.145 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.742 2.603 -4.342 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.021 1.779 -5.928 1.00 0.00 O ATOM 0 H GLU A 64 8.206 0.893 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 64 5.345 1.022 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.410 1.455 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.162 -0.185 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.349 -0.109 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.555 -0.210 -5.977 1.00 0.00 H new ATOM 1013 N GLY A 65 5.820 3.466 -5.921 1.00 0.00 N ATOM 1014 CA GLY A 65 5.901 4.914 -5.868 1.00 0.00 C ATOM 1015 C GLY A 65 4.709 5.536 -5.168 1.00 0.00 C ATOM 1016 O GLY A 65 3.848 4.827 -4.646 1.00 0.00 O ATOM 0 H GLY A 65 5.173 3.048 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.815 5.205 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.970 5.308 -6.882 1.00 0.00 H new ATOM 1020 N TYR A 66 4.659 6.863 -5.154 1.00 0.00 N ATOM 1021 CA TYR A 66 3.566 7.580 -4.508 1.00 0.00 C ATOM 1022 C TYR A 66 2.434 7.850 -5.495 1.00 0.00 C ATOM 1023 O TYR A 66 2.539 8.724 -6.355 1.00 0.00 O ATOM 1024 CB TYR A 66 4.071 8.900 -3.921 1.00 0.00 C ATOM 1025 CG TYR A 66 5.014 8.721 -2.753 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.752 7.783 -1.761 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.166 9.490 -2.640 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.611 7.617 -0.691 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.030 9.329 -1.575 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.749 8.392 -0.603 1.00 0.00 C ATOM 1031 OH TYR A 66 7.607 8.229 0.461 1.00 0.00 O ATOM 0 H TYR A 66 5.363 7.464 -5.583 1.00 0.00 H new ATOM 0 HA TYR A 66 3.181 6.955 -3.702 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.578 9.466 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.217 9.496 -3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.863 7.174 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.389 10.226 -3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.393 6.885 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.922 9.934 -1.504 1.00 0.00 H new ATOM 0 HH TYR A 66 8.360 8.850 0.372 1.00 0.00 H new ATOM 1041 N VAL A 67 1.350 7.092 -5.363 1.00 0.00 N ATOM 1042 CA VAL A 67 0.196 7.249 -6.240 1.00 0.00 C ATOM 1043 C VAL A 67 -1.010 7.779 -5.472 1.00 0.00 C ATOM 1044 O VAL A 67 -1.146 7.579 -4.265 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.183 5.916 -6.913 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.785 5.593 -8.041 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.213 4.792 -5.888 1.00 0.00 C ATOM 0 H VAL A 67 1.247 6.363 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 67 0.478 7.968 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.181 6.015 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.501 4.648 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.753 6.387 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.796 5.512 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.482 3.858 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.771 4.690 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.949 5.022 -5.118 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.908 8.472 -6.188 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.120 9.045 -5.594 1.00 0.00 C ATOM 1059 C PRO A 68 -4.126 7.975 -5.184 1.00 0.00 C ATOM 1060 O PRO A 68 -4.782 7.368 -6.031 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.691 9.911 -6.720 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.168 9.297 -7.973 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.811 8.749 -7.631 1.00 0.00 C ATOM 0 HA PRO A 68 -2.904 9.598 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.781 9.912 -6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.370 10.948 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.830 8.507 -8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.100 10.036 -8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.588 7.846 -8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.021 9.467 -7.850 1.00 0.00 H new ATOM 1071 N SER A 69 -4.243 7.748 -3.880 1.00 0.00 N ATOM 1072 CA SER A 69 -5.168 6.748 -3.357 1.00 0.00 C ATOM 1073 C SER A 69 -6.477 6.757 -4.141 1.00 0.00 C ATOM 1074 O SER A 69 -7.095 5.713 -4.349 1.00 0.00 O ATOM 1075 CB SER A 69 -5.446 7.005 -1.875 1.00 0.00 C ATOM 1076 OG SER A 69 -6.392 8.046 -1.707 1.00 0.00 O ATOM 0 H SER A 69 -3.709 8.243 -3.166 1.00 0.00 H new ATOM 0 HA SER A 69 -4.705 5.767 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.817 6.093 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.518 7.268 -1.368 1.00 0.00 H new ATOM 0 HG SER A 69 -6.554 8.190 -0.751 1.00 0.00 H new ATOM 1082 N SER A 70 -6.893 7.943 -4.573 1.00 0.00 N ATOM 1083 CA SER A 70 -8.130 8.090 -5.330 1.00 0.00 C ATOM 1084 C SER A 70 -8.245 7.007 -6.399 1.00 0.00 C ATOM 1085 O SER A 70 -9.296 6.386 -6.559 1.00 0.00 O ATOM 1086 CB SER A 70 -8.193 9.473 -5.982 1.00 0.00 C ATOM 1087 OG SER A 70 -8.169 10.498 -5.004 1.00 0.00 O ATOM 0 H SER A 70 -6.391 8.816 -4.412 1.00 0.00 H new ATOM 0 HA SER A 70 -8.965 7.984 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.351 9.596 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.101 9.556 -6.579 1.00 0.00 H new ATOM 0 HG SER A 70 -8.208 11.372 -5.445 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.156 6.785 -7.127 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.134 5.779 -8.181 1.00 0.00 C ATOM 1095 C TYR A 71 -7.186 4.372 -7.594 1.00 0.00 C ATOM 1096 O TYR A 71 -7.902 3.503 -8.094 1.00 0.00 O ATOM 1097 CB TYR A 71 -5.879 5.938 -9.041 1.00 0.00 C ATOM 1098 CG TYR A 71 -5.959 7.084 -10.024 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.424 8.333 -9.628 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.571 6.919 -11.347 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.500 9.383 -10.523 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.642 7.964 -12.248 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.108 9.194 -11.831 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.181 10.236 -12.726 1.00 0.00 O ATOM 0 H TYR A 71 -6.277 7.289 -7.006 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.016 5.925 -8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.019 6.089 -8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.705 5.012 -9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.731 8.485 -8.604 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.207 5.957 -11.677 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.865 10.347 -10.199 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.334 7.819 -13.273 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.866 9.936 -13.604 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.424 4.155 -6.528 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.382 2.854 -5.869 1.00 0.00 C ATOM 1116 C LEU A 72 -7.691 2.571 -5.140 1.00 0.00 C ATOM 1117 O LEU A 72 -8.285 3.466 -4.538 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.213 2.796 -4.884 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.815 2.775 -5.503 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.752 2.705 -4.417 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.675 1.604 -6.465 1.00 0.00 C ATOM 0 H LEU A 72 -5.827 4.863 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.241 2.091 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.281 3.657 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.328 1.906 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.673 3.699 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.763 2.691 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.838 3.576 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.892 1.798 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.674 1.605 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.838 0.670 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.413 1.697 -7.262 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.135 1.319 -5.195 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.372 0.917 -4.537 1.00 0.00 C ATOM 1135 C VAL A 73 -9.216 -0.437 -3.853 1.00 0.00 C ATOM 1136 O VAL A 73 -8.710 -1.388 -4.447 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.542 0.842 -5.537 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.473 1.995 -6.526 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.537 -0.495 -6.263 1.00 0.00 C ATOM 0 H VAL A 73 -7.656 0.566 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.592 1.677 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.477 0.925 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.307 1.926 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.529 2.941 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.534 1.946 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.370 -0.531 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.599 -0.611 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.638 -1.303 -5.538 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.654 -0.515 -2.600 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.562 -1.753 -1.835 1.00 0.00 C ATOM 1151 C GLU A 74 -10.453 -2.834 -2.441 1.00 0.00 C ATOM 1152 O GLU A 74 -11.679 -2.764 -2.356 1.00 0.00 O ATOM 1153 CB GLU A 74 -9.958 -1.508 -0.378 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.322 -2.485 0.598 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.187 -2.739 1.817 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.787 -1.771 2.329 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.264 -3.904 2.258 1.00 0.00 O ATOM 0 H GLU A 74 -10.076 0.264 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.528 -2.097 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.675 -0.493 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.042 -1.573 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.132 -3.430 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.355 -2.096 0.918 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.827 -3.834 -3.053 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.560 -4.931 -3.672 1.00 0.00 C ATOM 1166 C LYS A 75 -11.628 -5.475 -2.728 1.00 0.00 C ATOM 1167 O LYS A 75 -11.325 -6.225 -1.800 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.599 -6.053 -4.072 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.298 -7.292 -4.605 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.491 -7.219 -6.111 1.00 0.00 C ATOM 1171 CE LYS A 75 -10.813 -8.584 -6.698 1.00 0.00 C ATOM 1172 NZ LYS A 75 -12.240 -8.955 -6.489 1.00 0.00 N ATOM 0 H LYS A 75 -8.813 -3.907 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.052 -4.546 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.913 -5.678 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.997 -6.330 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.713 -8.177 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.267 -7.402 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.297 -6.523 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.587 -6.826 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.591 -8.582 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.171 -9.337 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.419 -9.892 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.446 -8.982 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.853 -8.251 -6.948 1.00 0.00 H new